Geometry & MOs

Info

ID:	372840
PubChem CID:	131305821
Reduced:	SO3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	234.035065
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	5.59
IP(EA), eV:	-8.69(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(7-hydroxy-2-methyl-1-benzothiophen-6-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(SC2=C(C=C1)O)/C=C/C(=O)O

DOS

IR

Vibrations